1,1,1,3,3,3-hexafluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethoxy)propan-2-yl]oxyethoxy]-2-(trifluoromethoxy)propane

C10F22O4 — CID 138396500

About 1,1,1,3,3,3-hexafluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethoxy)propan-2-yl]oxyethoxy]-2-(trifluoromethoxy)propane

1,1,1,3,3,3-hexafluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethoxy)propan-2-yl]oxyethoxy]-2-(trifluoromethoxy)propane (PubChem CID 138396500) has the molecular formula C10F22O4 and a molecular weight of 602.06 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethoxy)propan-2-yl]oxyethoxy]-2-(trifluoromethoxy)propane.

Molecular Properties

• Compound Name: 1,1,1,3,3,3-hexafluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethoxy)propan-2-yl]oxyethoxy]-2-(trifluoromethoxy)propane
• PubChem CID: 138396500
• Molecular Formula: C10F22O4
• Molecular Weight: 602.06 g/mol
• Exact Mass: 601.94
• IUPAC Name: 1,1,1,3,3,3-hexafluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethoxy)propan-2-yl]oxyethoxy]-2-(trifluoromethoxy)propane
• SMILES: FC(F)(F)OC(OC(F)(F)C(F)(F)OC(OC(F)(F)F)(C(F)(F)F)C(F)(F)F)(C(F)(F)F)C(F)(F)F
• InChI: InChI=1S/C10F22O4/c11-3(12,13)1(4(14,15)16,35-9(27,28)29)33-7(23,24)8(25,26)34-2(5(17,18)19,6(20,21)22)36-10(30,31)32
• InChIKey: HTIKFKFFFZPLCK-UHFFFAOYSA-N
• XLogP: 6.92
• TPSA: 36.92 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	602.06
LogP ≤ 5	6.92
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3,3-hexafluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethoxy)propan-2-yl]oxyethoxy]-2-(trifluoromethoxy)propane?

The IUPAC name of 1,1,1,3,3,3-hexafluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethoxy)propan-2-yl]oxyethoxy]-2-(trifluoromethoxy)propane (CID 138396500) is 1,1,1,3,3,3-hexafluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethoxy)propan-2-yl]oxyethoxy]-2-(trifluoromethoxy)propane.

What is the SMILES notation for 1,1,1,3,3,3-hexafluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethoxy)propan-2-yl]oxyethoxy]-2-(trifluoromethoxy)propane?

The canonical SMILES for 1,1,1,3,3,3-hexafluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethoxy)propan-2-yl]oxyethoxy]-2-(trifluoromethoxy)propane is FC(F)(F)OC(OC(F)(F)C(F)(F)OC(OC(F)(F)F)(C(F)(F)F)C(F)(F)F)(C(F)(F)F)C(F)(F)F.

What is the InChIKey of 1,1,1,3,3,3-hexafluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethoxy)propan-2-yl]oxyethoxy]-2-(trifluoromethoxy)propane?

The InChIKey is HTIKFKFFFZPLCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10F22O4/c11-3(12,13)1(4(14,15)16,35-9(27,28)29)33-7(23,24)8(25,26)34-2(5(17,18)19,6(20,21)22)36-10(30,31)32.

What are the key properties of 1,1,1,3,3,3-hexafluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethoxy)propan-2-yl]oxyethoxy]-2-(trifluoromethoxy)propane?

1,1,1,3,3,3-hexafluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethoxy)propan-2-yl]oxyethoxy]-2-(trifluoromethoxy)propane has a molecular weight of 602.06 g/mol, XLogP of 6.92, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1,1,1,3,3,3-hexafluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethoxy)propan-2-yl]oxyethoxy]-2-(trifluoromethoxy)propane is sourced from PubChem (CID 138396500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).